ethyl 4-[[(2S)-2-acetamido-4-methylsulfonyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-acetamido-4-methylsulfonyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-acetamido-4-methylsulfonyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-acetamido-4-methylsulfonyl-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-acetamido-4-methylsulfonylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-acetamido-4-mesyl-butanoyl]amino]benzoic acid ethyl ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C

InChI

InChI=1S/C16H22N2O6S/c1-4-24-16(21)12-5-7-13(8-6-12)18-15(20)14(17-11(2)19)9-10-25(3,22)23/h5-8,14H,4,9-10H2,1-3H3,(H,17,19)(H,18,20)/t14-/m0/s1